Sir please can you give me the title of the book or the document that contains the equation of Young's modulus and Hardness, I wait for your quick response.
We read those from articles mainly. As far as I remember, you can find those in some basic books like "Properties of Matter" by DS Mathur or Brij Lal etc.
Sir Please can we find the density of our material from the calculations of castep or we use the theoretical value in the equations that you have mentioned?
I am using cracked version. And in cracked version i have successfully calculated electric constants for crystal by following your vedio. But after building blockcoplymers i can't calculate eleastic constants for polymer. Kindly share vedio for calculating these values for polymers
For thermodynamic properties, please use the result file of phonon DOS (you can use phonon dispersion too) and analyze it with "Thermodynamic properties". It is the last property on the tab. I don't know how to calculate magnetic properties. Sorry.
Stress means hydrostatic pressure. If you are calculating pressure dependent properties, you have to apply stress every time from geometry optimization to elastic properties to other properties. So, if you are analyzing pressure dependent properties, then yes and if you are not doing this, leave the box with the value 0.
Hello. You can find the stability conditions in this paper: doi.org/10.1103/PhysRevB.90.224104. And for elastic properties, you have find separate papers for the specific compound. If you are dealing with a new compound, I am afraid that you won't find any paper describing its properties!
![[CASTEP] Elastic and Optical properties calculation and analysis](http://i.ytimg.com/vi/7w89IwgetsY/mqdefault.jpg)
Sir please can you give me the title of the book or the document that contains the equation of Young's modulus and Hardness, I wait for your quick response.
We read those from articles mainly. As far as I remember, you can find those in some basic books like "Properties of Matter" by DS Mathur or Brij Lal etc.
Sir Please can we find the density of our material from the calculations of castep or we use the theoretical value in the equations that you have mentioned?
Actually we can calculate it. I will make a video about it this week.
I am using cracked version. And in cracked version i have successfully calculated electric constants for crystal by following your vedio. But after building blockcoplymers i can't calculate eleastic constants for polymer. Kindly share vedio for calculating these values for polymers
Sorry. I have not calculated for polymers yet.
Nice one.
kindly guide me how I can find magnetic and thermodynamics properties on this code ?
For thermodynamic properties, please use the result file of phonon DOS (you can use phonon dispersion too) and analyze it with "Thermodynamic properties". It is the last property on the tab.
I don't know how to calculate magnetic properties. Sorry.
Sir I’m getting error, “elestic constants calculation are possible only for proper solids
Are you trying to calculate elastic properties of 2D materials?
Alhamdullilah
Can you give tutorial on charge distribution please?
Follow this video: th-cam.com/video/7Jw7tLnS4Ec/w-d-xo.html
Is it required to tick stress option in calculation of elastic property?
Stress means hydrostatic pressure. If you are calculating pressure dependent properties, you have to apply stress every time from geometry optimization to elastic properties to other properties.
So, if you are analyzing pressure dependent properties, then yes and if you are not doing this, leave the box with the value 0.
Sir Please make a video on brillouin zone selection and why we use symmetry impose option in material studio ...
I don't know it. Sorry.
Hello,
Where can we find the elastic properties and these stability conditions...etc.
Thank you.
Hello. You can find the stability conditions in this paper: doi.org/10.1103/PhysRevB.90.224104.
And for elastic properties, you have find separate papers for the specific compound.
If you are dealing with a new compound, I am afraid that you won't find any paper describing its properties!
@@DFTWorld thank you very much.
Thanks
Allah hu Akbar...
Hazrat Muhammad S.A.W... te unha de Alah aulad te salam..
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